Amber Archive Jul 2020: by messages with attachments

Re: [AMBER] Error in Installing Amber 20 on GPU Suchetana Gupta (Wed Jul 01 2020 - 10:39:51 PDT)
1. Output.txt (15921 bytes)
Re: [AMBER] Error in Installing Amber 20 on GPU Suchetana Gupta (Wed Jul 01 2020 - 11:13:29 PDT)
1. error.txt (1641 bytes)
[AMBER] Fortran error in constant pH MD Paul Meister (Thu Jul 02 2020 - 09:28:56 PDT)
1. sufs.cpin (1614 bytes)
Re: [AMBER] Error in Installing Amber 20 on GPU Suchetana Gupta (Thu Jul 02 2020 - 21:51:54 PDT)
1. 3rdjuly.txt (70642 bytes)
[AMBER] Error while running Antechamber Shreeramesh (Fri Jul 03 2020 - 11:02:15 PDT)
1. lig1.mol2 (3883 bytes)
[AMBER] Error in partial MINIMIZATION STEP Shreeramesh (Sat Jul 04 2020 - 09:39:01 PDT)
1. Partial_Mini.in (219 bytes)
2. Partial_Mini.pbs (751 bytes)
3. Partial_Mini_error (112 bytes)
[AMBER] MMGBSA and MMPBSA error (CalcError: failed with prmtop file complex.prmtop!) Nada Afiva (Sat Jul 04 2020 - 14:58:44 PDT)
1. mmpbsa1.in (313 bytes)
2. _MMPBSA_complex_gb.mdout.1 (350 bytes)
3. _MMPBSA_complex_gb.mdout.0 (1720 bytes)
4. prod.in (255 bytes)
Re: [AMBER] Accounting for PBC in Density Plots An Ta (Mon Jul 06 2020 - 10:46:41 PDT)
1. DensProfile_0M1_SecondRun.png (60179 bytes)
Re: [AMBER] Question about SMD using polymer Pinky Mazumder (Fri Jul 10 2020 - 13:24:35 PDT)
1. 07-10_15-11-00.png (96801 bytes)
[AMBER] Seg fault with pmemd.cuda.MPI using plumed Jacob Remington (Sat Jul 11 2020 - 12:16:54 PDT)
1. failed_run.mdout (11184 bytes)
Re: [AMBER] FW: restraint 10 kcal/mol Debarati DasGupta (Wed Jul 15 2020 - 14:50:24 PDT)
1. 06F41C44C404403EB9642A0283594FE9.png (69185 bytes)
[AMBER] Error in incprd file while performing steered molecular dynamics simulation Pinky Mazumder (Sat Jul 18 2020 - 00:09:30 PDT)
1. pull.png (153046 bytes)
[AMBER] Modified cysteine parameters krishnendu sinha (Sun Jul 19 2020 - 00:49:40 PDT)
1. CGR.ac (8413 bytes)
2. CGR.pdb (7719 bytes)
3. frcmod.CGR (6724 bytes)
4. CGR.mc (246 bytes)
5. CGR.prepin (5156 bytes)
6. leap.log (15740 bytes)
7. tleap.in (292 bytes)
8. WT.pdb (515623 bytes)
[AMBER] tleap does not recognize nonstandard residue from lib file JoAnne Babula (Wed Jul 22 2020 - 12:43:59 PDT)
1. hclean.pdb (341814 bytes)
[AMBER] Steered molecular dynamics Simulation Pinky Mazumder (Fri Jul 24 2020 - 19:47:39 PDT)
1. 116045753_323643322224394_9050394884200820442_n.png (36401 bytes)
[AMBER] Error building Amber Walton Smith (Mon Jul 27 2020 - 07:04:33 PDT)
1. CMakeError.log (2010 bytes)
2. CMakeOutput.log (183062 bytes)
Re: [AMBER] Error building Amber Walton Smith (Mon Jul 27 2020 - 12:50:54 PDT)
1. cmake.log (7788 bytes)
[AMBER] Problems generating charges with RESP Lucas Bandeira (Mon Jul 27 2020 - 13:39:01 PDT)
1. step1.respin1 (787 bytes)
2. step1.respout1 (10955 bytes)
3. step2.respout2 (10985 bytes)
4. step2.respin2 (799 bytes)
5. qout_stage1 (578 bytes)
6. qout_stage2 (578 bytes)
7. NonpolarGroup.ac (6391 bytes)
8. qin.dat (572 bytes)
9. NonpolarGroup.pdb (10004 bytes)
[AMBER] Problems deriving charges with RESP Lucas Bandeira (Mon Jul 27 2020 - 17:23:52 PDT)
1. step1.respin1 (1745 bytes)
2. step1.respout1 (6654 bytes)
3. step2.respout2 (3005 bytes)
4. step2.respin2 (1756 bytes)
5. PolarGroup.ac (16136 bytes)
6. qin.dat (1459 bytes)
[AMBER] ASMD equil4 not producing output files Hantz, Eric R. (Tue Jul 28 2020 - 06:51:23 PDT)
1. image001.png (16648 bytes)
Re: [AMBER] Error building Amber Gustaf Olsson (Thu Jul 30 2020 - 09:56:12 PDT)
1. run_cmake (1722 bytes)
2. cmake.log (6955 bytes)
Re: [AMBER] Erro Amber18 GPU Renato Araujo (Thu Jul 30 2020 - 18:07:17 PDT)
1. imagem.png (170232 bytes)
[AMBER] Structure Artifact After Autoimage Mikhael, Simoun (Fri Jul 31 2020 - 14:01:52 PDT)
1. after_autoimage.PNG (39471 bytes)

Amber Archive Jul 2020 by messages with attachments